In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
None
None
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.65 | 10.89 | -47.21 | 2 | 6 | 1 | 67 | 471.577 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.65 | 9.16 | -43.64 | 0 | 6 | -1 | 69 | 469.561 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 10.85 | -47.96 | 2 | 6 | 1 | 67 | 471.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 11.46 | -30.82 | 1 | 6 | 0 | 70 | 470.569 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 8.6 | -9.83 | 1 | 6 | 0 | 66 | 470.569 | 6 | ↓ |